6-Bromo-5-fluoropyridine-3-carboxylic acid - CAS 38186-87-7
Catalog: |
BB023570 |
Product Name: |
6-Bromo-5-fluoropyridine-3-carboxylic acid |
CAS: |
38186-87-7 |
Synonyms: |
6-bromo-5-fluoropyridine-3-carboxylic acid |
IUPAC Name: | 6-bromo-5-fluoropyridine-3-carboxylic acid |
Description: | 6-Bromo-5-fluoropyridine-3-carboxylic acid (CAS# 38186-87-7 ) is a useful research chemical. |
Molecular Weight: | 220.00 |
Molecular Formula: | C6H3BrFNO2 |
Canonical SMILES: | C1=C(C=NC(=C1F)Br)C(=O)O |
InChI: | InChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2H,(H,10,11) |
InChI Key: | YYLYQDSWERQSTR-UHFFFAOYSA-N |
Boiling Point: | 319.8 °C at 760 mmHg |
Density: | 1.903 g/cm3 |
MDL: | MFCD11036153 |
LogP: | 1.68140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113072476-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021067805-A1 | Oxalamide heterobycyclic compounds and compositions for treating conditions associated with sting activity | 20191003 |
WO-2021067859-A1 | 5-fluoronicotinamide derivatives and uses thereof | 20191003 |
WO-2020157201-A1 | Oxadiazinone compounds for the treatment of hyperproliferative diseases | 20190201 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93312 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93312 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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